CID 43118882

1-(4-bromophenyl)-2-(pyridin-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C13H13BrN2
SMILES
C1=CC=NC(=C1)CC(C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C13H13BrN2/c14-11-6-4-10(5-7-11)13(15)9-12-3-1-2-8-16-12/h1-8,13H,9,15H2
InChIKey
MGPBYHWAPBRAHN-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-pyridin-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0262 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03348 154.8
[M+Na]+ 299.01542 164.4
[M-H]- 275.01892 161.9
[M+NH4]+ 294.06002 172.5
[M+K]+ 314.98936 152.1
[M+H-H2O]+ 259.02346 153.0
[M+HCOO]- 321.02440 175.1
[M+CH3COO]- 335.04005 197.3
[M+Na-2H]- 297.00087 161.7
[M]+ 276.02565 170.9
[M]- 276.02675 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.